[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C17H20N6O — CID 110118556

IUPAC[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCc1cc2nccc(C3CCN(C(=O)c4ccnn4C)CC3)n2n1
InChIInChI=1S/C17H20N6O/c1-12-11-16-18-7-3-14(23(16)20-12)13-5-9-22(10-6-13)17(24)15-4-8-19-21(15)2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3
InChIKeyQLYGTAWZHUSDMM-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.79
Rot. Bonds2

About [4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 110118556) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is [4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID110118556
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCc1cc2nccc(C3CCN(C(=O)c4ccnn4C)CC3)n2n1
InChIInChI=1S/C17H20N6O/c1-12-11-16-18-7-3-14(23(16)20-12)13-5-9-22(10-6-13)17(24)15-4-8-19-21(15)2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3
InChIKeyQLYGTAWZHUSDMM-UHFFFAOYSA-N
XLogP1.79
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 110118556) is [4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cc1cc2nccc(C3CCN(C(=O)c4ccnn4C)CC3)n2n1.
What is the InChIKey of [4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is QLYGTAWZHUSDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-11-16-18-7-3-14(23(16)20-12)13-5-9-22(10-6-13)17(24)15-4-8-19-21(15)2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3.
What are the key properties of [4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 324.39 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110118556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).